#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxh s PHE 4004N 0.00 2.58 -0.11 5.58 2.19 -1.26 -4.69 117.98 122.27 2nxh s PHE 4004Ca 0.00 1.20 -0.05 0.00 0.33 0.00 0.00 56.93 58.41 2nxh s PHE 4004Cb 0.00 -3.98 -0.04 0.00 -1.31 0.00 0.00 43.02 37.69 2nxh s PHE 4004CO 0.00 -2.92 0.08 -1.17 1.83 0.00 0.00 175.22 173.04 2nxh s LEU 4005N -2.22 4.05 -0.18 6.12 2.96 -0.65 -0.79 118.68 127.97 2nxh s LEU 4005Ca 0.54 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.75 2nxh s LEU 4005Cb -0.46 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.32 2nxh s LEU 4005CO 0.61 0.38 0.02 -0.69 -1.32 0.00 0.00 176.35 175.36 2nxh s VAL 4006N -0.89 0.56 -0.34 1.68 1.01 -0.69 -0.84 120.40 120.88 2nxh s VAL 4006Ca 0.14 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2nxh s VAL 4006Cb -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 2nxh s VAL 4006CO 0.03 -0.13 0.23 -0.63 0.00 0.00 0.00 175.10 174.60 2nxh s ILE 4007N 1.85 5.12 0.24 2.22 1.01 -0.27 -1.68 121.20 129.69 2nxh s ILE 4007Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2nxh s ILE 4007Cb -0.16 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2nxh s ILE 4007CO -0.08 -0.02 0.10 0.00 0.00 0.00 0.00 174.94 174.94 2nxh s ALA 4008N 1.69 1.54 0.00 9.38 0.00 -0.68 -0.58 121.76 133.11 2nxh s ALA 4008Ca 0.06 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.22 2nxh s ALA 4008Cb -0.18 1.11 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2nxh s ALA 4008CO 0.09 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2nxh n GLY 4009N -0.39 3.25 3.77 0.00 0.00 -1.24 0.32 105.19 110.89 2nxh n GLY 4009Ca 0.00 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 2nxh n GLY 4009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nxh s PRO 4010N -2.07 3.51 0.14 1.61 0.04 -1.16 -1.57 135.00 135.50 2nxh s PRO 4010Ca 0.00 1.81 -0.20 0.00 0.04 0.00 0.00 61.00 62.66 2nxh s PRO 4010Cb 0.00 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.30 2nxh s PRO 4010CO 0.00 -0.77 1.68 -0.97 0.04 0.00 0.00 177.00 176.98 2nxh h ASN 4011N 1.68 -0.36 -3.99 6.66 -0.73 -1.84 -3.35 115.58 113.64 2nxh h ASN 4011Ca -0.50 0.09 -0.58 0.00 1.87 0.00 0.00 56.30 57.18 2nxh h ASN 4011Cb 1.26 0.21 -0.21 0.00 0.27 0.00 0.00 38.32 39.85 2nxh h ASN 4011CO 0.59 -0.14 -0.83 0.00 -0.37 0.00 0.00 177.43 176.68 2nxh s ALA 4012N -6.18 1.97 -1.23 1.57 0.00 -1.26 -1.28 121.76 115.34 2nxh s ALA 4012Ca -0.14 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.28 2nxh s ALA 4012Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2nxh s ALA 4012CO 0.69 0.37 1.86 -0.89 0.00 0.00 0.00 175.76 177.80 2nxh n ILE 4013N 0.89 2.92 0.28 0.00 5.41 0.06 -4.68 119.36 124.24 2nxh n ILE 4013Ca -0.18 -2.98 0.16 0.00 1.00 0.00 0.00 62.75 60.75 2nxh n ILE 4013Cb 0.54 -2.29 0.75 0.00 -0.71 0.00 0.00 39.64 37.93 2nxh n ILE 4013CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2nxh h GLU 4014N 8.39 0.00 0.00 0.38 5.08 -1.96 -3.42 114.58 123.05 2nxh h GLU 4014Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2nxh h GLU 4014Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2nxh h GLU 4014CO 1.42 0.06 0.00 -1.13 -1.00 0.00 0.00 179.01 178.36 2nxh n SER 4015N -3.25 0.00 0.31 1.42 3.41 -1.26 -4.97 113.62 109.27 2nxh n SER 4015Ca -0.01 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.79 2nxh n SER 4015Cb 0.27 0.00 1.02 0.00 -0.26 0.00 0.00 64.21 65.24 2nxh n SER 4015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2nxh h GLU 4016N 0.00 0.00 -0.65 4.33 4.11 -1.94 0.76 114.58 121.19 2nxh h GLU 4016Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2nxh h GLU 4016Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2nxh h GLU 4016CO 0.00 0.02 0.23 1.49 0.07 0.00 0.00 179.01 180.82 2nxh h GLU 4017N 0.00 0.99 -0.12 1.06 4.81 -1.98 0.36 114.58 119.70 2nxh h GLU 4017Ca -0.00 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 2nxh h GLU 4017Cb 0.08 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2nxh h GLU 4017CO 0.00 0.85 -0.03 1.25 -0.73 0.00 0.00 179.01 180.35 2nxh h LEU 4018N 0.92 0.24 -0.91 1.64 5.85 -1.26 -1.86 115.31 119.94 2nxh h LEU 4018Ca 0.21 -0.37 0.10 0.00 0.84 0.00 0.00 57.88 58.67 2nxh h LEU 4018Cb 0.25 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 2nxh h LEU 4018CO -0.01 0.55 0.55 -0.07 -0.34 0.00 0.00 178.44 179.12 2nxh h LEU 4019N -0.07 0.81 -0.50 2.25 3.38 -1.06 -0.03 115.31 120.09 2nxh h LEU 4019Ca 0.03 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2nxh h LEU 4019Cb 0.45 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2nxh h LEU 4019CO 0.01 0.45 -0.14 -0.07 0.09 0.00 0.00 178.44 178.78 2nxh h LEU 4020N 0.91 0.98 -0.74 1.67 3.38 -0.81 0.81 115.31 121.51 2nxh h LEU 4020Ca 0.44 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2nxh h LEU 4020Cb 0.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2nxh h LEU 4020CO -0.25 1.13 0.31 0.50 0.09 0.00 0.00 178.44 180.22 2nxh h LYS 4021N 0.83 1.10 0.03 1.13 3.64 -0.46 0.21 116.57 123.04 2nxh h LYS 4021Ca 0.12 -0.19 -0.22 0.00 -1.27 0.00 0.00 60.65 59.10 2nxh h LYS 4021Cb 0.71 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2nxh h LYS 4021CO 0.05 0.89 -0.86 0.28 -2.27 0.00 0.00 179.45 177.54 2nxh h VAL 4022N 1.06 1.37 -0.00 2.00 2.07 -0.87 -3.12 116.25 118.76 2nxh h VAL 4022Ca 0.25 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2nxh h VAL 4022Cb 0.19 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2nxh h VAL 4022CO -0.02 0.67 0.00 1.23 0.02 0.00 0.00 177.57 179.46 2nxh h GLY 4023N 0.09 0.00 0.71 2.17 0.00 0.84 -1.23 103.07 105.64 2nxh h GLY 4023Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2nxh h GLY 4023CO 0.17 0.00 -0.16 -2.09 0.00 0.00 0.00 176.54 174.46 2nxh h GLU 4024N 0.00 -0.44 -0.29 4.80 4.81 -0.89 -0.79 114.58 121.78 2nxh h GLU 4024Ca 0.00 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2nxh h GLU 4024Cb 0.00 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2nxh h GLU 4024CO -0.00 -0.13 0.17 1.49 -0.73 0.00 0.00 179.01 179.80 2nxh h GLU 4025N -0.75 0.34 -0.54 1.92 4.57 -1.37 -1.84 114.58 116.91 2nxh h GLU 4025Ca -0.05 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2nxh h GLU 4025Cb 0.50 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 2nxh h GLU 4025CO 0.08 0.22 0.29 0.82 -1.18 0.00 0.00 179.01 179.24 2nxh h ILE 4026N 0.35 0.98 -0.37 2.32 2.04 -1.26 -1.16 117.51 120.40 2nxh h ILE 4026Ca 0.11 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.84 2nxh h ILE 4026Cb -0.00 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 2nxh h ILE 4026CO -0.05 0.10 0.06 0.50 0.00 0.00 0.00 178.15 178.76 2nxh h LYS 4027N 0.56 0.17 -0.04 2.37 1.63 -0.73 0.42 116.57 120.95 2nxh h LYS 4027Ca 0.23 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.05 2nxh h LYS 4027Cb 0.11 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 2nxh h LYS 4027CO -0.15 0.12 -0.20 -0.09 -3.45 0.00 0.00 179.45 175.68 2nxh h ARG 4028N 0.18 -0.29 -0.01 1.90 2.43 -0.70 -0.11 114.38 117.79 2nxh h ARG 4028Ca 0.18 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2nxh h ARG 4028Cb 0.22 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2nxh h ARG 4028CO -0.25 -0.19 0.01 -0.07 -1.51 0.00 0.00 179.97 177.96 2nxh h LEU 4029N -0.30 0.00 -1.33 3.80 4.07 -0.53 0.46 115.31 121.48 2nxh h LEU 4029Ca 0.07 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 2nxh h LEU 4029Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2nxh h LEU 4029CO -0.21 0.00 -0.30 -1.28 -1.08 0.00 0.00 178.44 175.57 2nxh h SER 4030N 0.00 0.06 0.63 -0.43 0.87 0.16 -1.15 113.55 113.70 2nxh h SER 4030Ca 0.00 -0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 60.27 2nxh h SER 4030Cb 0.02 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2nxh h SER 4030CO -0.00 0.36 -1.39 -0.33 -0.53 0.00 0.00 176.83 174.93 2nxh h GLU 4031N 0.05 0.12 -0.05 2.24 4.39 -0.09 -3.34 114.58 117.91 2nxh h GLU 4031Ca 0.01 -0.21 -0.22 0.00 0.34 0.00 0.00 59.36 59.27 2nxh h GLU 4031Cb 0.56 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2nxh h GLU 4031CO 0.04 0.96 -0.86 -0.22 -1.16 0.00 0.00 179.01 177.77 2nxh h LYS 4032N 0.03 0.53 -3.00 2.33 3.64 -1.04 -3.36 116.57 115.70 2nxh h LYS 4032Ca -0.18 -0.50 -0.67 0.00 -1.27 0.00 0.00 60.65 58.03 2nxh h LYS 4032Cb 1.94 0.12 -0.38 0.00 -0.41 0.00 0.00 32.23 33.51 2nxh h LYS 4032CO 0.14 1.13 -0.24 1.19 -2.27 0.00 0.00 179.45 179.40 2nxh n PHE 4033N -3.83 3.71 0.30 1.91 3.01 -0.45 -4.89 117.46 117.23 2nxh n PHE 4033Ca -0.07 -4.06 0.10 0.00 1.01 0.00 0.00 57.45 54.43 2nxh n PHE 4033Cb 0.79 -0.91 0.45 0.00 -0.01 0.00 0.00 39.48 39.80 2nxh n PHE 4033CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2nxh n LYS 4034N 1.84 0.13 0.00 -1.08 4.76 -1.25 -1.84 118.16 120.73 2nxh n LYS 4034Ca 0.23 0.47 0.13 0.00 -2.87 0.00 0.00 58.31 56.27 2nxh n LYS 4034Cb 0.37 -1.81 0.41 0.00 -1.84 0.00 0.00 35.03 32.16 2nxh n LYS 4034CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2nxh n GLU 4035N -2.07 0.01 -4.19 1.97 4.07 -1.26 -4.83 120.64 114.34 2nxh n GLU 4035Ca 0.01 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.76 2nxh n GLU 4035Cb 0.14 -1.51 -0.09 0.00 -0.06 0.00 0.00 31.44 29.93 2nxh n GLU 4035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2nxh s VAL 4036N -3.00 4.68 -0.49 6.31 1.01 -0.76 -4.08 120.40 124.06 2nxh s VAL 4036Ca 0.12 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 2nxh s VAL 4036Cb 0.18 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.60 2nxh s VAL 4036CO 0.62 0.58 0.58 -0.70 0.00 0.00 0.00 175.10 176.18 2nxh s GLU 4037N -0.66 3.10 0.36 2.72 2.12 0.03 -4.98 118.70 121.39 2nxh s GLU 4037Ca 0.11 -0.95 -0.09 0.00 0.36 0.00 0.00 54.97 54.41 2nxh s GLU 4037Cb -0.12 -4.09 -0.06 0.00 0.26 0.00 0.00 34.13 30.12 2nxh s GLU 4037CO 0.02 -1.17 0.70 -0.06 -0.54 0.00 0.00 175.26 174.22 2nxh s PHE 4038N 2.45 3.47 -0.12 5.30 0.40 -1.26 -1.71 117.98 126.51 2nxh s PHE 4038Ca 0.13 0.93 -0.05 0.00 -0.60 0.00 0.00 56.93 57.34 2nxh s PHE 4038Cb -0.20 -2.34 0.06 0.00 0.51 0.00 0.00 43.02 41.05 2nxh s PHE 4038CO 0.11 -0.01 0.25 0.08 0.70 0.00 0.00 175.22 176.35 2nxh s VAL 4039N -2.26 -0.24 0.10 -0.44 1.01 -0.67 -4.25 120.40 113.64 2nxh s VAL 4039Ca 0.49 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 2nxh s VAL 4039Cb -0.10 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.81 2nxh s VAL 4039CO 0.30 0.09 1.03 0.12 0.00 0.00 0.00 175.10 176.65 2nxh s PHE 4040N 1.91 3.67 -0.01 5.22 5.36 0.04 -1.68 117.98 132.49 2nxh s PHE 4040Ca -0.03 1.66 0.04 0.00 -0.96 0.00 0.00 56.93 57.63 2nxh s PHE 4040Cb -0.11 -3.18 -0.01 0.00 -0.34 0.00 0.00 43.02 39.38 2nxh s PHE 4040CO -0.08 -0.26 -0.12 0.21 -1.46 0.00 0.00 175.22 173.51 2nxh s LYS 4041N 0.28 1.00 -0.29 10.12 2.36 0.15 -1.21 119.74 132.15 2nxh s LYS 4041Ca 0.50 -0.43 -0.19 0.00 -2.55 0.00 0.00 55.97 53.31 2nxh s LYS 4041Cb -0.25 -0.96 0.17 0.00 -1.05 0.00 0.00 37.83 35.73 2nxh s LYS 4041CO 0.31 0.25 1.13 0.45 1.55 0.00 0.00 175.35 179.04 2nxh s SER 4042N -0.23 -0.31 -0.00 1.43 0.15 -1.18 -3.40 113.70 110.17 2nxh s SER 4042Ca 0.04 0.52 -0.23 0.00 0.70 0.00 0.00 55.95 56.97 2nxh s SER 4042Cb -0.05 0.94 -0.05 0.00 -1.71 0.00 0.00 66.02 65.15 2nxh s SER 4042CO -0.00 -0.08 0.70 -0.44 1.20 0.00 0.00 173.24 174.61 2nxh s SER 4043N 0.89 7.08 0.07 5.45 0.01 -0.41 -4.62 113.70 122.17 2nxh s SER 4043Ca -0.04 1.29 0.28 0.00 1.31 0.00 0.00 55.95 58.78 2nxh s SER 4043Cb -0.04 -2.42 1.01 0.00 0.21 0.00 0.00 66.02 64.78 2nxh s SER 4043CO -0.12 0.00 1.81 2.22 0.41 0.00 0.00 173.24 177.56 2nxh n PHE 4044N 3.07 0.30 -3.64 2.43 1.16 -1.26 -0.76 117.46 118.75 2nxh n PHE 4044Ca -0.03 0.09 -0.08 0.00 -1.87 0.00 0.00 57.45 55.55 2nxh n PHE 4044Cb 0.51 -0.61 -0.07 0.00 -1.61 0.00 0.00 39.48 37.69 2nxh n PHE 4044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2nxh s ASP 4045N -3.50 -0.89 -0.99 5.98 2.15 -1.25 -3.84 116.67 114.31 2nxh s ASP 4045Ca 0.12 1.47 -0.13 0.00 0.43 0.00 0.00 52.55 54.44 2nxh s ASP 4045Cb 0.17 1.39 0.21 0.00 -0.30 0.00 0.00 42.92 44.39 2nxh s ASP 4045CO 0.57 -0.24 1.05 -0.54 -0.17 0.00 0.00 175.17 175.84 2nxh s LYS 4046N 1.41 3.86 0.00 4.34 -0.14 0.23 -4.84 119.74 124.60 2nxh s LYS 4046Ca -0.08 -2.58 0.25 0.00 -1.36 0.00 0.00 55.97 52.20 2nxh s LYS 4046Cb -0.05 -4.66 1.48 0.00 -1.68 0.00 0.00 37.83 32.91 2nxh s LYS 4046CO -0.16 -1.44 1.88 0.00 -0.76 0.00 0.00 175.35 174.86 2nxh n ALA 4047N 4.34 2.51 -2.28 5.17 0.00 -1.26 -3.85 120.51 125.14 2nxh n ALA 4047Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 2nxh n ALA 4047Cb 0.44 -1.40 0.07 0.00 0.00 0.00 0.00 19.45 18.56 2nxh n ALA 4047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nxh n ASN 4048N -0.94 2.08 -4.75 0.00 2.04 -1.26 -5.09 115.26 107.34 2nxh n ASN 4048Ca 0.19 -2.79 -0.33 0.00 -0.44 0.00 0.00 54.58 51.21 2nxh n ASN 4048Cb 0.08 -0.41 0.08 0.00 -2.53 0.00 0.00 39.78 37.01 2nxh n ASN 4048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 2nxh s ARG 4049N -2.44 2.32 0.05 -3.83 1.81 -1.25 -4.94 118.95 110.67 2nxh s ARG 4049Ca 0.36 1.43 -0.18 0.00 -1.72 0.00 0.00 55.73 55.62 2nxh s ARG 4049Cb 0.37 -1.89 -0.15 0.00 -0.45 0.00 0.00 34.95 32.84 2nxh s ARG 4049CO -0.07 -1.63 1.31 0.77 -0.68 0.00 0.00 175.30 175.00 2nxh h SER 4050N -0.54 0.53 -2.69 0.23 0.02 -1.98 -3.44 113.55 105.69 2nxh h SER 4050Ca -0.46 -0.54 -0.66 0.00 -0.84 0.00 0.00 61.79 59.28 2nxh h SER 4050Cb 1.26 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.57 2nxh h SER 4050CO 0.51 0.98 -0.47 -0.55 -1.14 0.00 0.00 176.83 176.16 2nxh s SER 4051N -6.41 6.39 0.45 3.07 0.15 -1.25 -4.98 113.70 111.13 2nxh s SER 4051Ca -0.13 0.47 0.31 0.00 0.70 0.00 0.00 55.95 57.29 2nxh s SER 4051Cb 0.06 -2.08 1.41 0.00 -1.71 0.00 0.00 66.02 63.70 2nxh s SER 4051CO 0.79 0.39 1.92 -0.29 1.20 0.00 0.00 173.24 177.26 2nxh h ILE 4052N 4.02 0.00 -0.01 6.45 6.09 -1.94 -2.42 117.51 129.70 2nxh h ILE 4052Ca -0.54 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.69 2nxh h ILE 4052Cb 1.22 1.10 0.00 0.00 0.47 0.00 0.00 36.82 39.62 2nxh h ILE 4052CO 0.59 0.00 -0.22 1.41 -3.07 0.00 0.00 178.15 176.86 2nxh n HIS 4053N -2.70 0.00 -2.99 2.19 8.25 -1.26 -4.94 115.22 113.77 2nxh n HIS 4053Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 2nxh n HIS 4053Cb 0.20 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.08 2nxh n HIS 4053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2nxh s SER 4054N -2.55 6.84 0.35 0.41 0.01 -0.91 -5.02 113.70 112.83 2nxh s SER 4054Ca 0.24 1.46 -0.28 0.00 1.31 0.00 0.00 55.95 58.69 2nxh s SER 4054Cb 0.19 -2.45 -0.12 0.00 0.21 0.00 0.00 66.02 63.86 2nxh s SER 4054CO 0.52 -0.28 1.26 0.33 0.41 0.00 0.00 173.24 175.48 2nxh n PHE 4055N -0.52 2.18 0.00 2.43 7.35 -1.26 -4.93 117.46 122.71 2nxh n PHE 4055Ca 0.05 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 2nxh n PHE 4055Cb 0.54 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.97 2nxh n PHE 4055CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2nxh n ARG 4056N 0.50 0.00 -1.74 -4.13 1.74 -1.26 -4.79 116.66 106.98 2nxh n ARG 4056Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2nxh n ARG 4056Cb 0.36 -0.63 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2nxh n ARG 4056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nxh n GLY 4057N 3.05 -0.47 1.32 -0.13 0.00 -1.26 -0.61 105.19 107.09 2nxh n GLY 4057Ca 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 2nxh n GLY 4057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nxh n HIS 4058N 2.08 1.45 0.00 1.61 8.25 -1.25 -5.02 115.22 122.35 2nxh n HIS 4058Ca 0.00 -1.41 0.00 0.00 -0.26 0.00 0.00 57.72 56.05 2nxh n HIS 4058Cb 0.00 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.58 2nxh n HIS 4058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nxh n GLY 4059N -0.87 -0.30 0.31 -1.41 0.00 -1.25 -4.32 105.19 97.34 2nxh n GLY 4059Ca 0.35 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 2nxh n GLY 4059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nxh h LEU 4060N 0.00 0.92 0.61 0.99 6.46 -1.98 -1.69 115.31 120.61 2nxh h LEU 4060Ca 0.00 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2nxh h LEU 4060Cb 0.00 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.69 2nxh h LEU 4060CO 0.00 0.66 -0.51 -0.08 -0.62 0.00 0.00 178.44 177.89 2nxh h GLU 4061N 1.08 -1.05 -0.30 1.25 4.81 -1.98 0.19 114.58 118.59 2nxh h GLU 4061Ca 0.30 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.67 2nxh h GLU 4061Cb -0.10 0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 2nxh h GLU 4061CO -0.07 -0.70 -0.12 -0.92 -0.73 0.00 0.00 179.01 176.47 2nxh h TYR 4062N -1.09 -0.28 0.15 0.92 3.20 -1.74 -1.76 116.97 116.38 2nxh h TYR 4062Ca -0.08 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.84 2nxh h TYR 4062Cb 0.91 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 2nxh h TYR 4062CO -0.20 -0.18 -0.34 0.78 -1.64 0.00 0.00 178.16 176.58 2nxh h GLY 4063N -0.06 -0.67 0.70 1.82 0.00 -1.03 -0.77 103.07 103.05 2nxh h GLY 4063Ca 0.15 0.40 0.12 0.00 0.00 0.00 0.00 47.33 48.00 2nxh h GLY 4063CO -0.34 -0.26 0.54 -2.08 0.00 0.00 0.00 176.54 174.40 2nxh h VAL 4064N -0.59 0.90 0.07 4.60 2.07 -0.42 -0.71 116.25 122.17 2nxh h VAL 4064Ca 0.02 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2nxh h VAL 4064Cb 0.60 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2nxh h VAL 4064CO -0.18 0.13 -0.03 0.50 0.02 0.00 0.00 177.57 178.01 2nxh h LYS 4065N 0.71 -0.08 -0.95 1.57 3.64 -0.65 -1.42 116.57 119.39 2nxh h LYS 4065Ca 0.40 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 2nxh h LYS 4065Cb 0.57 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 2nxh h LYS 4065CO -0.17 0.10 0.61 0.00 -2.27 0.00 0.00 179.45 177.72 2nxh h ALA 4066N 0.66 1.29 -0.33 5.00 0.00 -0.25 -1.12 119.26 124.51 2nxh h ALA 4066Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2nxh h ALA 4066Cb 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2nxh h ALA 4066CO 0.01 0.42 -0.13 -0.07 0.00 0.00 0.00 179.25 179.48 2nxh h LEU 4067N 1.13 0.57 0.05 0.00 3.38 -1.01 -2.21 115.31 117.23 2nxh h LEU 4067Ca 0.40 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2nxh h LEU 4067Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2nxh h LEU 4067CO -0.15 0.73 -0.03 0.03 0.09 0.00 0.00 178.44 179.11 2nxh h ARG 4068N 0.54 -0.07 -0.49 1.13 3.08 -0.12 -0.38 114.38 118.07 2nxh h ARG 4068Ca 0.09 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.25 2nxh h ARG 4068Cb 0.54 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.51 2nxh h ARG 4068CO 0.03 0.10 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.63 2nxh h LYS 4069N -0.23 -0.08 -0.54 0.04 1.63 -0.99 0.46 116.57 116.85 2nxh h LYS 4069Ca -0.01 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2nxh h LYS 4069Cb 0.21 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 2nxh h LYS 4069CO 0.01 -0.05 0.29 0.28 -3.45 0.00 0.00 179.45 176.53 2nxh h VAL 4070N -0.08 1.18 -0.25 2.00 2.07 -1.26 0.29 116.25 120.20 2nxh h VAL 4070Ca 0.23 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 2nxh h VAL 4070Cb 0.44 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2nxh h VAL 4070CO -0.55 0.20 -0.20 0.50 0.02 0.00 0.00 177.57 177.54 2nxh h LYS 4071N 0.73 0.46 0.10 1.57 3.64 0.42 -1.18 116.57 122.31 2nxh h LYS 4071Ca 0.19 -0.15 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 2nxh h LYS 4071Cb 0.06 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2nxh h LYS 4071CO -0.03 0.64 -0.84 0.93 -2.27 0.00 0.00 179.45 177.88 2nxh h GLU 4072N 0.41 0.22 -0.07 1.90 5.08 0.13 -1.75 114.58 120.51 2nxh h GLU 4072Ca 0.07 -0.38 -0.14 0.00 -1.00 0.00 0.00 59.36 57.91 2nxh h GLU 4072Cb 0.58 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2nxh h GLU 4072CO 0.04 1.18 -0.59 1.49 -1.00 0.00 0.00 179.01 180.13 2nxh h GLU 4073N -0.49 0.22 0.00 2.33 4.81 -0.46 -3.33 114.58 117.66 2nxh h GLU 4073Ca -0.17 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2nxh h GLU 4073Cb 1.55 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.95 2nxh h GLU 4073CO 0.09 0.74 -0.64 1.19 -0.73 0.00 0.00 179.01 179.66 2nxh n PHE 4074N -3.88 0.00 -3.40 0.92 3.72 -0.45 -5.02 117.46 109.36 2nxh n PHE 4074Ca -0.02 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.18 2nxh n PHE 4074Cb 0.60 -0.05 0.07 0.00 -0.94 0.00 0.00 39.48 39.16 2nxh n PHE 4074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nxh n GLY 4075N 1.38 -0.29 3.68 1.37 0.00 -0.66 -4.97 105.19 105.71 2nxh n GLY 4075Ca 0.01 0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2nxh n GLY 4075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nxh s LEU 4076N -6.21 3.50 0.77 0.99 1.43 -1.24 -5.05 118.68 112.86 2nxh s LEU 4076Ca 0.48 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 2nxh s LEU 4076Cb -0.21 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.00 2nxh s LEU 4076CO 0.60 0.25 1.13 -0.54 0.23 0.00 0.00 176.35 178.02 2nxh s LYS 4077N -1.75 2.08 0.10 1.70 1.02 -1.26 -4.48 119.74 117.14 2nxh s LYS 4077Ca 0.21 1.43 0.08 0.00 0.02 0.00 0.00 55.97 57.70 2nxh s LYS 4077Cb -0.12 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 2nxh s LYS 4077CO 0.12 -1.82 -0.19 0.42 -0.92 0.00 0.00 175.35 172.96 2nxh s ILE 4078N -2.53 1.58 -0.09 2.17 -1.09 -1.26 -0.78 121.20 119.20 2nxh s ILE 4078Ca 0.66 -1.51 -0.08 0.00 -2.23 0.00 0.00 60.65 57.50 2nxh s ILE 4078Cb -0.22 -1.46 0.03 0.00 -1.58 0.00 0.00 42.46 39.23 2nxh s ILE 4078CO 0.51 -0.11 0.25 0.28 -1.23 0.00 0.00 174.94 174.63 2nxh s THR 4079N -1.23 -0.01 0.15 2.92 -1.32 -0.35 0.31 115.64 116.12 2nxh s THR 4079Ca 0.05 0.02 -0.17 0.00 -1.21 0.00 0.00 61.69 60.38 2nxh s THR 4079Cb -0.10 -0.35 0.04 0.00 -1.51 0.00 0.00 72.50 70.58 2nxh s THR 4079CO 0.04 0.01 0.47 0.28 -2.21 0.00 0.00 174.62 173.20 2nxh s THR 4080N 0.28 0.05 0.03 5.08 -1.32 -1.18 -3.08 115.64 115.50 2nxh s THR 4080Ca -0.01 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 2nxh s THR 4080Cb -0.03 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 2nxh s THR 4080CO -0.01 -0.21 0.11 1.51 -2.21 0.00 0.00 174.62 173.82 2nxh s ASP 4081N -2.82 5.82 0.20 8.08 -4.77 -1.26 -1.31 116.67 120.60 2nxh s ASP 4081Ca 0.05 0.14 0.07 0.00 -3.30 0.00 0.00 52.55 49.52 2nxh s ASP 4081Cb 0.01 -1.68 -0.04 0.00 -1.09 0.00 0.00 42.92 40.11 2nxh s ASP 4081CO -0.09 0.23 0.06 0.27 0.70 0.00 0.00 175.17 176.34 2nxh s ILE 4082N -1.31 3.98 0.00 2.11 -4.36 -0.97 -4.79 121.20 115.87 2nxh s ILE 4082Ca 0.27 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 2nxh s ILE 4082Cb -0.12 -3.05 0.00 0.00 1.25 0.00 0.00 42.46 40.54 2nxh s ILE 4082CO 0.19 -0.18 0.00 1.41 0.24 0.00 0.00 174.94 176.59 2nxh n HIS 4083N -0.44 0.00 -4.08 1.37 8.25 -1.26 -4.37 115.22 114.69 2nxh n HIS 4083Ca -0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.24 2nxh n HIS 4083Cb 0.56 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.55 2nxh n HIS 4083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nxh s GLU 4084N -1.97 0.47 0.35 -0.41 2.02 -1.26 -5.05 118.70 112.85 2nxh s GLU 4084Ca 0.00 -0.56 0.17 0.00 0.02 0.00 0.00 54.97 54.60 2nxh s GLU 4084Cb 0.00 -0.30 1.21 0.00 0.10 0.00 0.00 34.13 35.14 2nxh s GLU 4084CO 0.00 0.06 1.61 0.77 0.02 0.00 0.00 175.26 177.72 2nxh h SER 4085N 5.00 0.34 0.61 -0.19 0.02 -1.91 -0.73 113.55 116.70 2nxh h SER 4085Ca -0.33 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2nxh h SER 4085Cb 1.20 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2nxh h SER 4085CO 0.44 -0.32 0.00 4.11 -1.14 0.00 0.00 176.83 179.92 2nxh h TRP 4086N 0.12 0.00 0.00 3.45 5.08 -1.97 -3.00 115.95 119.64 2nxh h TRP 4086Ca 0.79 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.76 2nxh h TRP 4086Cb 1.96 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.12 2nxh h TRP 4086CO -0.04 0.00 -0.35 1.04 -1.28 0.00 0.00 178.44 177.81 2nxh n GLN 4087N -2.37 0.21 0.24 0.12 6.02 -0.28 -4.29 117.38 117.03 2nxh n GLN 4087Ca 0.01 0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 56.98 2nxh n GLN 4087Cb 0.20 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 2nxh n GLN 4087CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nxh h ALA 4088N 2.63 -1.09 -0.21 -1.58 0.00 -1.68 -0.60 119.26 116.74 2nxh h ALA 4088Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2nxh h ALA 4088Cb 0.68 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 2nxh h ALA 4088CO 0.00 -1.08 -0.31 1.49 0.00 0.00 0.00 179.25 179.35 2nxh h GLU 4089N -0.72 -0.33 -0.46 0.00 4.22 -1.80 0.45 114.58 115.94 2nxh h GLU 4089Ca -0.06 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 2nxh h GLU 4089Cb 0.60 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2nxh h GLU 4089CO 0.03 -0.22 0.16 -1.00 -2.18 0.00 0.00 179.01 175.80 2nxh h PRO 4090N -0.34 0.70 -0.31 0.92 0.13 -1.75 -3.00 132.00 128.35 2nxh h PRO 4090Ca 0.12 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 2nxh h PRO 4090Cb 0.53 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 2nxh h PRO 4090CO -0.40 0.66 -0.16 0.28 -0.23 0.00 0.00 178.00 178.15 2nxh h VAL 4091N 0.60 1.24 0.00 1.56 2.07 -0.76 -2.62 116.25 118.34 2nxh h VAL 4091Ca 0.15 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2nxh h VAL 4091Cb 0.24 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2nxh h VAL 4091CO -0.01 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.95 2nxh n ALA 4092N -2.48 1.63 0.17 1.67 0.00 0.16 -1.74 120.51 119.91 2nxh n ALA 4092Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2nxh n ALA 4092Cb 0.35 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.81 2nxh n ALA 4092CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2nxh h GLU 4093N 0.00 0.00 0.00 0.00 4.39 -1.55 -3.38 114.58 114.04 2nxh h GLU 4093Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2nxh h GLU 4093Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2nxh h GLU 4093CO 0.00 0.30 -0.73 0.28 -1.16 0.00 0.00 179.01 177.69 2nxh n VAL 4094N -3.15 0.00 -2.67 3.13 0.31 -0.71 -5.03 118.33 110.20 2nxh n VAL 4094Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 2nxh n VAL 4094Cb 0.66 -0.40 -0.02 0.00 -0.91 0.00 0.00 33.84 33.16 2nxh n VAL 4094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nxh s ALA 4095N -1.65 3.59 0.22 3.52 0.00 -0.79 -4.49 121.76 122.15 2nxh s ALA 4095Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.04 2nxh s ALA 4095Cb 0.00 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.72 2nxh s ALA 4095CO 0.00 -1.25 1.51 -0.44 0.00 0.00 0.00 175.76 175.58 2nxh h ASP 4096N 7.78 0.21 -3.24 0.00 3.32 -0.49 -3.42 116.42 120.58 2nxh h ASP 4096Ca -0.20 -0.14 -0.48 0.00 0.02 0.00 0.00 57.03 56.23 2nxh h ASP 4096Cb 1.06 -0.06 -0.37 0.00 0.22 0.00 0.00 39.33 40.18 2nxh h ASP 4096CO 1.00 0.83 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.93 2nxh s ILE 4097N -3.55 0.71 -0.21 0.35 1.01 -0.91 -2.54 121.20 116.06 2nxh s ILE 4097Ca -0.03 -0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 2nxh s ILE 4097Cb 0.12 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 2nxh s ILE 4097CO 0.80 0.31 0.59 -0.63 0.00 0.00 0.00 174.94 176.01 2nxh s ILE 4098N 1.74 5.05 -0.11 2.92 1.01 0.30 -3.08 121.20 129.02 2nxh s ILE 4098Ca 0.03 1.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.66 2nxh s ILE 4098Cb -0.13 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2nxh s ILE 4098CO -0.06 0.12 0.24 -1.58 0.00 0.00 0.00 174.94 173.66 2nxh s GLN 4099N 1.93 3.87 -0.27 2.79 0.74 -0.43 -0.93 119.66 127.36 2nxh s GLN 4099Ca 0.26 0.05 -0.09 0.00 0.05 0.00 0.00 55.36 55.64 2nxh s GLN 4099Cb -0.16 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 2nxh s GLN 4099CO 0.10 0.55 0.11 0.42 -0.55 0.00 0.00 175.29 175.93 2nxh s ILE 4100N -0.47 4.57 0.55 -2.34 -1.09 -0.42 -2.28 121.20 119.72 2nxh s ILE 4100Ca 0.17 -0.18 -0.20 0.00 -2.23 0.00 0.00 60.65 58.20 2nxh s ILE 4100Cb -0.13 -3.20 -0.06 0.00 -1.58 0.00 0.00 42.46 37.48 2nxh s ILE 4100CO 0.05 0.25 1.05 -2.65 -1.23 0.00 0.00 174.94 172.41 2nxh n PRO 4101N 4.96 1.17 -0.03 2.79 -0.02 -1.26 -1.55 135.00 141.06 2nxh n PRO 4101Ca -0.15 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.68 2nxh n PRO 4101Cb 0.51 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2nxh n PRO 4101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nxh h ALA 4102N 0.94 -0.23 -0.03 3.55 0.00 -1.90 -0.61 119.26 120.98 2nxh h ALA 4102Ca -0.48 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2nxh h ALA 4102Cb 1.35 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 2nxh h ALA 4102CO 0.53 -0.72 0.04 0.74 0.00 0.00 0.00 179.25 179.84 2nxh h PHE 4103N -0.31 0.00 -0.71 0.00 0.04 -1.92 -2.27 116.94 111.78 2nxh h PHE 4103Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2nxh h PHE 4103Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2nxh h PHE 4103CO -0.40 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.59 2nxh n LEU 4104N -3.97 4.24 0.05 1.54 4.77 -0.32 -4.55 117.00 118.76 2nxh n LEU 4104Ca -0.02 -2.15 0.04 0.00 -0.03 0.00 0.00 56.01 53.85 2nxh n LEU 4104Cb 0.13 -0.52 0.22 0.00 -2.33 0.00 0.00 43.42 40.91 2nxh n LEU 4104CO 0.29 0.93 0.63 0.00 -1.33 0.00 0.00 177.39 177.91 2nxh n ARG 4106N -1.75 0.60 -2.35 0.00 1.74 -1.26 -4.90 116.66 108.74 2nxh n ARG 4106Ca 0.00 -0.99 -0.37 0.00 -0.77 0.00 0.00 57.85 55.73 2nxh n ARG 4106Cb 0.04 -1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.28 2nxh n ARG 4106CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2nxh s GLN 4107N -0.86 3.12 0.21 5.56 -1.52 -0.74 -4.88 119.66 120.55 2nxh s GLN 4107Ca 0.11 -0.55 -0.20 0.00 -1.95 0.00 0.00 55.36 52.76 2nxh s GLN 4107Cb 0.08 -4.98 0.17 0.00 -0.22 0.00 0.00 33.01 28.06 2nxh s GLN 4107CO 0.13 -2.60 1.55 1.15 -0.25 0.00 0.00 175.29 175.28 2nxh h THR 4108N 6.82 0.02 -0.39 -0.19 2.02 -1.90 -0.74 112.91 118.55 2nxh h THR 4108Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.25 2nxh h THR 4108Cb 1.03 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2nxh h THR 4108CO 1.32 0.00 0.26 0.44 0.37 0.00 0.00 175.52 177.91 2nxh h ASP 4109N -0.03 0.39 -0.15 4.18 3.32 -1.99 -0.93 116.42 121.22 2nxh h ASP 4109Ca 0.30 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 2nxh h ASP 4109Cb 0.56 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2nxh h ASP 4109CO -0.94 0.27 -0.37 0.25 -1.72 0.00 0.00 179.24 176.73 2nxh h LEU 4110N 0.45 0.70 -0.26 1.55 5.85 -1.52 -1.64 115.31 120.44 2nxh h LEU 4110Ca 0.16 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 2nxh h LEU 4110Cb 0.07 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2nxh h LEU 4110CO -0.04 1.00 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.86 2nxh h LEU 4111N 0.55 0.56 -0.63 2.25 3.38 -0.94 -2.37 115.31 118.12 2nxh h LEU 4111Ca 0.05 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2nxh h LEU 4111Cb 0.88 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2nxh h LEU 4111CO 0.08 0.85 0.06 -0.07 0.09 0.00 0.00 178.44 179.45 2nxh h LEU 4112N 0.27 1.04 -0.92 1.67 3.38 -1.17 -0.32 115.31 119.27 2nxh h LEU 4112Ca 0.06 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2nxh h LEU 4112Cb 0.64 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2nxh h LEU 4112CO 0.04 1.06 0.15 0.00 0.09 0.00 0.00 178.44 179.78 2nxh h ALA 4113N 1.02 1.12 -0.22 1.53 0.00 -1.29 -0.89 119.26 120.52 2nxh h ALA 4113Ca 0.19 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2nxh h ALA 4113Cb 0.49 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2nxh h ALA 4113CO 0.02 0.59 -0.53 0.00 0.00 0.00 0.00 179.25 179.33 2nxh h ALA 4114N 1.25 0.64 0.00 0.00 0.00 -1.17 -2.98 119.26 117.01 2nxh h ALA 4114Ca 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2nxh h ALA 4114Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2nxh h ALA 4114CO -0.00 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.93 2nxh n ALA 4115N -2.53 2.44 0.63 0.00 0.00 -0.15 -3.08 120.51 117.81 2nxh n ALA 4115Ca -0.03 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.38 2nxh n ALA 4115Cb 0.60 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2nxh n ALA 4115CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2nxh n LYS 4116N -1.25 0.25 0.00 0.00 4.81 -0.38 -3.60 118.16 117.99 2nxh n LYS 4116Ca 0.15 -0.02 0.14 0.00 -0.87 0.00 0.00 58.31 57.70 2nxh n LYS 4116Cb 0.22 -1.56 0.70 0.00 0.02 0.00 0.00 35.03 34.41 2nxh n LYS 4116CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2nxh n THR 4117N -1.87 0.08 -0.04 3.15 -2.24 -1.18 -4.88 114.28 107.30 2nxh n THR 4117Ca 0.02 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2nxh n THR 4117Cb 0.42 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 2nxh n THR 4117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nxh n GLY 4118N 1.15 2.66 3.73 3.38 0.00 -1.25 -5.00 105.19 109.86 2nxh n GLY 4118Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2nxh n GLY 4118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nxh s ARG 4119N -0.00 0.12 0.25 1.61 1.81 -1.26 -4.90 118.95 116.58 2nxh s ARG 4119Ca 0.00 0.08 -0.18 0.00 -1.72 0.00 0.00 55.73 53.91 2nxh s ARG 4119Cb 0.00 -1.74 -0.08 0.00 -0.45 0.00 0.00 34.95 32.68 2nxh s ARG 4119CO 0.00 -2.84 0.72 0.00 -0.68 0.00 0.00 175.30 172.50 2nxh s ALA 4120N -3.24 3.40 -0.10 2.13 0.00 -1.05 -4.73 121.76 118.16 2nxh s ALA 4120Ca 0.68 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.78 2nxh s ALA 4120Cb -0.12 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.22 2nxh s ALA 4120CO 0.55 0.34 -0.18 0.08 0.00 0.00 0.00 175.76 176.55 2nxh s VAL 4121N -1.65 1.63 -0.31 0.00 1.01 -0.61 0.11 120.40 120.57 2nxh s VAL 4121Ca 0.46 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 2nxh s VAL 4121Cb -0.15 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.82 2nxh s VAL 4121CO 0.20 0.47 0.05 0.21 0.00 0.00 0.00 175.10 176.02 2nxh s ASN 4122N 0.73 5.07 -0.18 3.32 3.04 -0.11 -0.88 114.94 125.93 2nxh s ASN 4122Ca -0.12 -1.16 -0.16 0.00 0.04 0.00 0.00 52.86 51.47 2nxh s ASN 4122Cb -0.16 -1.79 -0.04 0.00 -1.54 0.00 0.00 41.25 37.72 2nxh s ASN 4122CO 0.02 -0.28 0.39 -0.69 -3.04 0.00 0.00 177.10 173.51 2nxh s VAL 4123N 1.34 5.21 -0.10 -5.21 1.01 0.42 -1.31 120.40 121.77 2nxh s VAL 4123Ca -0.03 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 2nxh s VAL 4123Cb -0.19 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 2nxh s VAL 4123CO 0.01 0.28 1.11 -0.54 0.00 0.00 0.00 175.10 175.96 2nxh s LYS 4124N 1.10 4.36 -0.01 2.72 -0.14 -0.60 -0.46 119.74 126.71 2nxh s LYS 4124Ca 0.20 1.53 -0.30 0.00 -1.36 0.00 0.00 55.97 56.03 2nxh s LYS 4124Cb -0.14 -3.57 -0.06 0.00 -1.68 0.00 0.00 37.83 32.37 2nxh s LYS 4124CO 0.08 -0.43 1.53 0.21 -0.76 0.00 0.00 175.35 175.98 2nxh s LYS 4125N 2.31 4.23 0.45 1.68 2.20 -0.18 -4.13 119.74 126.29 2nxh s LYS 4125Ca 0.52 2.10 -0.24 0.00 -0.36 0.00 0.00 55.97 57.99 2nxh s LYS 4125Cb -0.21 -3.71 -0.09 0.00 -1.51 0.00 0.00 37.83 32.31 2nxh s LYS 4125CO 0.18 -0.70 1.15 0.41 -0.36 0.00 0.00 175.35 176.03 2nxh n GLY 4126N 3.87 0.19 0.00 5.54 0.00 -1.25 -4.57 105.19 108.97 2nxh n GLY 4126Ca 0.15 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.33 2nxh n GLY 4126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nxh n GLN 4127N -0.14 0.02 0.00 1.61 3.00 -1.26 -1.71 117.38 118.90 2nxh n GLN 4127Ca 0.09 0.34 0.06 0.00 -0.01 0.00 0.00 57.00 57.48 2nxh n GLN 4127Cb 0.41 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.20 2nxh n GLN 4127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2nxh n PHE 4128N -1.45 0.00 -3.86 1.08 1.16 -1.26 -0.95 117.46 112.18 2nxh n PHE 4128Ca 0.02 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.26 2nxh n PHE 4128Cb 0.08 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.90 2nxh n PHE 4128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2nxh s LEU 4129N -1.14 4.37 0.31 5.98 2.96 -0.70 -5.07 118.68 125.41 2nxh s LEU 4129Ca 0.14 0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 54.39 2nxh s LEU 4129Cb 0.11 -2.53 -0.07 0.00 0.50 0.00 0.00 46.19 44.20 2nxh s LEU 4129CO 0.17 0.29 0.64 0.00 -1.32 0.00 0.00 176.35 176.13 2nxh s ALA 4130N -1.26 3.48 0.18 5.97 0.00 -1.26 -4.88 121.76 123.99 2nxh s ALA 4130Ca 0.25 -0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 2nxh s ALA 4130Cb -0.13 -2.52 0.10 0.00 0.00 0.00 0.00 23.12 20.57 2nxh s ALA 4130CO 0.15 0.26 1.61 -1.35 0.00 0.00 0.00 175.76 176.43 2nxh h PRO 4131N 1.89 -0.17 0.00 0.00 0.11 -1.98 0.28 132.00 132.12 2nxh h PRO 4131Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2nxh h PRO 4131Cb 1.18 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2nxh h PRO 4131CO 0.66 -0.12 0.00 0.11 -0.21 0.00 0.00 178.00 178.45 2nxh h TRP 4132N -0.18 0.00 0.00 0.65 0.09 -1.94 -2.12 115.95 112.45 2nxh h TRP 4132Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.19 2nxh h TRP 4132Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.75 2nxh h TRP 4132CO -0.53 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 177.75 2nxh n ASP 4133N -2.58 0.69 0.09 0.11 8.00 0.09 -3.10 116.55 119.84 2nxh n ASP 4133Ca -0.01 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.20 2nxh n ASP 4133Cb 0.11 -0.77 0.45 0.00 -0.02 0.00 0.00 41.12 40.89 2nxh n ASP 4133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2nxh n THR 4134N -2.17 0.73 -0.16 -3.53 -2.24 -0.80 -3.32 114.28 102.79 2nxh n THR 4134Ca 0.05 0.08 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 2nxh n THR 4134Cb 0.36 -0.93 0.04 0.00 -2.10 0.00 0.00 70.33 67.69 2nxh n THR 4134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nxh h LYS 4135N 0.00 0.50 -0.07 -0.78 3.64 -1.75 -1.50 116.57 116.61 2nxh h LYS 4135Ca 0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2nxh h LYS 4135Cb 0.45 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2nxh h LYS 4135CO 0.00 0.33 -0.25 -0.91 -2.27 0.00 0.00 179.45 176.35 2nxh h ASN 4136N 0.52 0.12 -0.79 4.20 -0.26 -1.81 -1.79 115.58 115.77 2nxh h ASN 4136Ca 0.20 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 2nxh h ASN 4136Cb 0.07 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.26 2nxh h ASN 4136CO -0.12 0.38 0.44 0.58 -1.06 0.00 0.00 177.43 177.64 2nxh h VAL 4137N 0.12 1.23 -0.32 2.81 2.07 -1.43 -1.28 116.25 119.46 2nxh h VAL 4137Ca 0.02 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 2nxh h VAL 4137Cb 0.51 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2nxh h VAL 4137CO 0.04 0.26 -0.40 0.58 0.02 0.00 0.00 177.57 178.06 2nxh h VAL 4138N 1.09 1.29 -0.71 2.57 2.07 -0.95 -2.88 116.25 118.73 2nxh h VAL 4138Ca 0.28 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.26 2nxh h VAL 4138Cb 0.03 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2nxh h VAL 4138CO -0.05 0.52 0.47 -0.08 0.02 0.00 0.00 177.57 178.45 2nxh h GLU 4139N 0.61 0.80 -0.26 1.57 4.81 -0.91 0.70 114.58 121.90 2nxh h GLU 4139Ca 0.04 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2nxh h GLU 4139Cb 0.99 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2nxh h GLU 4139CO 0.10 0.53 0.00 0.87 -0.73 0.00 0.00 179.01 179.78 2nxh h LYS 4140N 0.82 0.45 -0.75 1.92 1.57 -1.14 -1.52 116.57 117.92 2nxh h LYS 4140Ca 0.29 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2nxh h LYS 4140Cb 0.11 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2nxh h LYS 4140CO -0.09 0.62 0.31 -0.07 -0.57 0.00 0.00 179.45 179.66 2nxh h LEU 4141N 0.23 1.02 -1.00 2.94 3.38 -1.15 -0.19 115.31 120.55 2nxh h LEU 4141Ca 0.07 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2nxh h LEU 4141Cb 0.41 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2nxh h LEU 4141CO 0.01 0.91 0.25 0.11 0.09 0.00 0.00 178.44 179.81 2nxh h LYS 4142N 1.08 0.97 -0.37 1.13 1.57 -0.78 -0.34 116.57 119.83 2nxh h LYS 4142Ca 0.25 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 2nxh h LYS 4142Cb 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2nxh h LYS 4142CO -0.02 0.80 -0.18 0.35 -0.57 0.00 0.00 179.45 179.83 2nxh h PHE 4143N 0.95 0.77 0.00 -1.35 3.57 -0.77 -2.59 116.94 117.53 2nxh h PHE 4143Ca 0.22 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2nxh h PHE 4143Cb 0.20 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2nxh h PHE 4143CO 0.02 0.82 0.00 0.41 -2.23 0.00 0.00 178.31 177.33 2nxh n GLY 4144N -0.37 -0.91 0.97 2.40 0.00 -0.13 -4.87 105.19 102.28 2nxh n GLY 4144Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2nxh n GLY 4144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 4145N 0.66 0.72 3.77 -0.02 0.00 -0.93 -3.69 105.19 105.70 2nxh n GLY 4145Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2nxh n GLY 4145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxh s ALA 4146N -2.52 2.95 0.00 4.61 0.00 -0.23 -4.91 121.76 121.67 2nxh s ALA 4146Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2nxh s ALA 4146Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2nxh s ALA 4146CO 0.00 -0.58 0.00 1.63 0.00 0.00 0.00 175.76 176.81 2nxh n LYS 4147N -0.54 0.41 -3.39 0.00 5.02 -1.26 -4.46 118.16 113.94 2nxh n LYS 4147Ca 0.08 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.92 2nxh n LYS 4147Cb 0.49 -0.97 -0.06 0.00 -0.02 0.00 0.00 35.03 34.46 2nxh n LYS 4147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nxh s GLU 4148N -1.95 2.85 -0.06 1.97 2.12 -1.26 -5.05 118.70 117.32 2nxh s GLU 4148Ca 0.00 -1.65 0.04 0.00 0.36 0.00 0.00 54.97 53.73 2nxh s GLU 4148Cb 0.00 -4.16 -0.02 0.00 0.26 0.00 0.00 34.13 30.21 2nxh s GLU 4148CO 0.00 -1.23 -0.18 0.42 -0.54 0.00 0.00 175.26 173.73 2nxh s ILE 4149N 1.54 2.69 0.09 -3.70 1.01 -1.26 -1.58 121.20 119.99 2nxh s ILE 4149Ca 0.04 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2nxh s ILE 4149Cb -0.28 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2nxh s ILE 4149CO 0.03 0.58 -0.18 -0.31 0.00 0.00 0.00 174.94 175.05 2nxh s TYR 4150N -0.44 1.53 -0.09 3.97 1.51 -0.06 -2.92 117.35 120.85 2nxh s TYR 4150Ca 0.05 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 2nxh s TYR 4150Cb -0.12 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.89 2nxh s TYR 4150CO 0.02 0.13 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.88 2nxh s LEU 4151N -1.79 1.94 -0.21 -1.29 1.43 -0.18 -0.43 118.68 118.15 2nxh s LEU 4151Ca 0.03 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2nxh s LEU 4151Cb -0.10 -1.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 2nxh s LEU 4151CO 0.03 0.11 -0.08 -0.89 0.23 0.00 0.00 176.35 175.75 2nxh s THR 4152N 0.47 3.05 -0.08 5.49 2.01 0.39 -0.79 115.64 126.18 2nxh s THR 4152Ca -0.17 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2nxh s THR 4152Cb -0.17 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 2nxh s THR 4152CO 0.07 0.45 1.19 -0.70 -0.69 0.00 0.00 174.62 174.94 2nxh s GLU 4153N 1.39 4.34 -0.01 4.92 2.56 0.15 -1.01 118.70 131.04 2nxh s GLU 4153Ca 0.05 1.64 0.14 0.00 0.00 0.00 0.00 54.97 56.80 2nxh s GLU 4153Cb -0.14 -3.59 0.24 0.00 2.00 0.00 0.00 34.13 32.64 2nxh s GLU 4153CO -0.05 -0.48 1.10 2.89 -0.56 0.00 0.00 175.26 178.16 2nxh n ARG 4154N 5.41 0.09 0.00 4.30 -4.01 -1.26 -0.62 116.66 120.57 2nxh n ARG 4154Ca 0.11 -1.63 0.00 0.00 -1.04 0.00 0.00 57.85 55.29 2nxh n ARG 4154Cb 0.46 -0.32 0.00 0.00 -3.04 0.00 0.00 32.46 29.57 2nxh n ARG 4154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2nxh n GLY 4155N 0.17 1.62 3.23 2.89 0.00 -1.26 -3.81 105.19 108.03 2nxh n GLY 4155Ca 0.04 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 2nxh n GLY 4155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxh s THR 4156N -2.74 1.47 -0.05 2.61 2.01 -0.32 -4.34 115.64 114.29 2nxh s THR 4156Ca 0.00 -1.32 -0.32 0.00 0.31 0.00 0.00 61.69 60.36 2nxh s THR 4156Cb 0.00 -1.34 -0.10 0.00 0.01 0.00 0.00 72.50 71.07 2nxh s THR 4156CO 0.00 -0.02 1.94 0.41 -0.69 0.00 0.00 174.62 176.26 2nxh n THR 4157N 1.44 0.65 -3.79 -0.82 -1.04 -0.12 -1.78 114.28 108.83 2nxh n THR 4157Ca -0.19 -0.14 -0.30 0.00 -2.04 0.00 0.00 64.05 61.38 2nxh n THR 4157Cb 0.54 -2.09 -0.14 0.00 -1.82 0.00 0.00 70.33 66.82 2nxh n THR 4157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nxh s PHE 4158N 4.49 2.31 0.00 -1.42 5.36 -0.69 -4.88 117.98 123.15 2nxh s PHE 4158Ca 0.92 -2.49 0.00 0.00 -0.96 0.00 0.00 56.93 54.40 2nxh s PHE 4158Cb -0.57 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 2nxh s PHE 4158CO 0.47 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.83 2nxh n GLY 4159N 3.78 -0.71 3.82 13.12 0.00 -1.26 -4.27 105.19 119.67 2nxh n GLY 4159Ca 0.06 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2nxh n GLY 4159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nxh s TYR 4160N 0.00 3.76 -1.44 1.61 2.02 -1.26 -4.38 117.35 117.66 2nxh s TYR 4160Ca 0.00 1.19 -0.05 0.00 -0.37 0.00 0.00 57.07 57.84 2nxh s TYR 4160Cb 0.00 -2.44 0.04 0.00 -0.40 0.00 0.00 41.96 39.16 2nxh s TYR 4160CO 0.00 0.57 0.67 0.09 -1.57 0.00 0.00 175.55 175.30 2nxh n ASN 4161N 1.56 -1.85 -3.59 2.29 3.02 -1.26 -4.96 115.26 110.47 2nxh n ASN 4161Ca -0.10 -0.90 -0.14 0.00 -0.03 0.00 0.00 54.58 53.41 2nxh n ASN 4161Cb 0.51 -3.50 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 2nxh n ASN 4161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2nxh s ASN 4162N -4.02 -0.60 0.08 6.41 3.04 -1.26 -4.29 114.94 114.30 2nxh s ASN 4162Ca 0.23 0.94 0.06 0.00 0.04 0.00 0.00 52.86 54.13 2nxh s ASN 4162Cb -0.12 0.87 -0.03 0.00 -1.54 0.00 0.00 41.25 40.44 2nxh s ASN 4162CO 0.86 -0.35 -0.17 -0.76 -3.04 0.00 0.00 177.10 173.64 2nxh s LEU 4163N -0.37 2.28 0.05 3.21 1.43 -1.26 -1.70 118.68 122.32 2nxh s LEU 4163Ca -0.03 -0.63 0.06 0.00 -1.03 0.00 0.00 54.13 52.50 2nxh s LEU 4163Cb -0.03 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 2nxh s LEU 4163CO 0.02 -0.01 -0.17 0.54 0.23 0.00 0.00 176.35 176.96 2nxh s VAL 4164N -1.19 1.39 -0.39 -1.59 0.11 -0.73 -4.87 120.40 113.13 2nxh s VAL 4164Ca 0.02 -1.16 -0.14 0.00 -2.93 0.00 0.00 61.98 57.77 2nxh s VAL 4164Cb -0.10 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 2nxh s VAL 4164CO 0.03 0.05 0.27 -0.69 -3.33 0.00 0.00 175.10 171.43 2nxh s VAL 4165N -0.90 5.05 -0.82 2.04 1.01 -1.26 -1.17 120.40 124.35 2nxh s VAL 4165Ca 0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2nxh s VAL 4165Cb -0.09 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.61 2nxh s VAL 4165CO 0.02 -0.26 1.04 -0.62 0.00 0.00 0.00 175.10 175.28 2nxh s ASP 4166N 1.65 6.45 0.00 3.32 -1.08 -1.26 -4.89 116.67 120.86 2nxh s ASP 4166Ca 0.04 -1.67 0.02 0.00 -0.52 0.00 0.00 52.55 50.42 2nxh s ASP 4166Cb -0.19 -2.40 0.11 0.00 -1.46 0.00 0.00 42.92 38.98 2nxh s ASP 4166CO 0.09 -1.18 0.84 0.49 0.52 0.00 0.00 175.17 175.92 2nxh n PHE 4167N 6.89 0.00 0.29 -5.34 3.01 -1.26 -1.27 117.46 119.77 2nxh n PHE 4167Ca 0.13 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.77 2nxh n PHE 4167Cb 0.47 -0.24 0.77 0.00 -0.01 0.00 0.00 39.48 40.47 2nxh n PHE 4167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nxh h ARG 4168N 0.00 0.00 -0.36 -1.08 3.08 -2.03 -2.88 114.38 111.11 2nxh h ARG 4168Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2nxh h ARG 4168Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2nxh h ARG 4168CO 0.00 0.01 -0.09 0.66 -1.07 0.00 0.00 179.97 179.48 2nxh h SER 4169N 0.00 0.59 0.18 7.04 4.64 -1.61 -2.93 113.55 121.45 2nxh h SER 4169Ca -0.00 -0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2nxh h SER 4169Cb 0.43 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 2nxh h SER 4169CO 0.00 0.72 -0.51 -0.07 -0.87 0.00 0.00 176.83 176.10 2nxh h LEU 4170N 0.56 -1.50 -1.25 5.97 4.07 -1.73 0.12 115.31 121.55 2nxh h LEU 4170Ca 0.10 0.15 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 2nxh h LEU 4170Cb 0.49 0.55 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 2nxh h LEU 4170CO 0.03 -0.57 -0.29 1.55 -1.08 0.00 0.00 178.44 178.08 2nxh h PRO 4171N -0.78 0.00 -0.11 1.13 0.13 -1.75 -2.34 132.00 128.28 2nxh h PRO 4171Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.08 2nxh h PRO 4171Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 2nxh h PRO 4171CO -0.25 0.29 -0.08 0.82 -0.23 0.00 0.00 178.00 178.56 2nxh h ILE 4172N 0.00 1.34 0.00 -3.56 2.04 -1.22 -3.20 117.51 112.91 2nxh h ILE 4172Ca -0.00 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 2nxh h ILE 4172Cb 0.70 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2nxh h ILE 4172CO 0.04 0.33 -0.24 0.24 0.00 0.00 0.00 178.15 178.52 2nxh h MET 4173N -0.14 0.00 0.00 2.37 2.86 -0.75 -2.98 114.93 116.28 2nxh h MET 4173Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2nxh h MET 4173Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2nxh h MET 4173CO 0.02 0.24 0.00 1.17 1.06 0.00 0.00 176.91 179.40 2nxh n LYS 4174N -3.35 0.11 0.19 1.72 3.00 -0.89 -2.21 118.16 116.74 2nxh n LYS 4174Ca 0.01 0.52 0.14 0.00 -0.00 0.00 0.00 58.31 58.98 2nxh n LYS 4174Cb 0.46 -1.80 0.60 0.00 0.00 0.00 0.00 35.03 34.29 2nxh n LYS 4174CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2nxh h GLN 4175N 0.00 0.00 0.00 1.64 4.20 -1.63 -3.33 115.11 116.00 2nxh h GLN 4175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nxh h GLN 4175Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2nxh h GLN 4175CO 0.00 0.00 0.00 -2.67 -0.67 0.00 0.00 178.83 175.49 2nxh n TRP 4176N -2.58 0.00 -3.56 2.96 2.14 -0.94 -5.12 117.44 110.34 2nxh n TRP 4176Ca 0.01 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.52 2nxh n TRP 4176Cb 0.24 0.02 -0.02 0.00 -0.81 0.00 0.00 31.31 30.74 2nxh n TRP 4176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2nxh s ALA 4177N 0.00 -1.96 0.34 -1.67 0.00 -1.11 -4.99 121.76 112.38 2nxh s ALA 4177Ca 0.00 1.37 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 2nxh s ALA 4177Cb 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 2nxh s ALA 4177CO 0.00 -0.60 1.18 0.15 0.00 0.00 0.00 175.76 176.49 2nxh s LYS 4178N -2.57 4.32 -0.09 0.00 1.02 -1.15 -4.11 119.74 117.16 2nxh s LYS 4178Ca 0.07 1.92 0.00 0.00 0.02 0.00 0.00 55.97 57.98 2nxh s LYS 4178Cb -0.01 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2nxh s LYS 4178CO -0.06 -0.11 -0.08 0.08 -0.92 0.00 0.00 175.35 174.26 2nxh s VAL 4179N -1.27 3.59 0.04 3.17 1.01 -1.26 -1.01 120.40 124.68 2nxh s VAL 4179Ca 0.51 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.07 2nxh s VAL 4179Cb -0.33 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2nxh s VAL 4179CO 0.43 0.57 -0.23 -0.63 0.00 0.00 0.00 175.10 175.24 2nxh s ILE 4180N -0.40 1.85 -0.21 2.22 -1.09 0.03 -0.33 121.20 123.27 2nxh s ILE 4180Ca 0.06 -1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 57.18 2nxh s ILE 4180Cb -0.12 -1.59 -0.02 0.00 -1.58 0.00 0.00 42.46 39.15 2nxh s ILE 4180CO 0.02 0.28 -0.03 -0.47 -1.23 0.00 0.00 174.94 173.51 2nxh s TYR 4181N -0.79 2.98 -0.61 3.97 5.04 -0.36 -0.67 117.35 126.91 2nxh s TYR 4181Ca 0.09 -0.73 -0.25 0.00 -2.44 0.00 0.00 57.07 53.75 2nxh s TYR 4181Cb -0.09 -2.08 0.05 0.00 0.35 0.00 0.00 41.96 40.18 2nxh s TYR 4181CO 0.02 -0.41 1.03 0.34 -1.34 0.00 0.00 175.55 175.19 2nxh s ASP 4182N 1.22 6.28 0.40 4.32 -1.08 0.21 -0.20 116.67 127.84 2nxh s ASP 4182Ca 0.03 -0.47 0.22 0.00 -0.52 0.00 0.00 52.55 51.81 2nxh s ASP 4182Cb -0.14 -2.47 0.51 0.00 -1.46 0.00 0.00 42.92 39.36 2nxh s ASP 4182CO -0.00 -1.41 1.65 0.00 0.52 0.00 0.00 175.17 175.93 2nxh h ALA 4183N 9.52 0.90 0.05 3.66 0.00 -0.91 -3.15 119.26 129.33 2nxh h ALA 4183Ca -0.27 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.14 2nxh h ALA 4183Cb 1.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2nxh h ALA 4183CO 1.15 0.26 -1.71 0.25 0.00 0.00 0.00 179.25 179.20 2nxh n THR 4184N -3.20 1.64 0.17 0.00 -2.24 -1.25 -4.36 114.28 105.03 2nxh n THR 4184Ca 0.02 -0.34 0.05 0.00 -2.27 0.00 0.00 64.05 61.51 2nxh n THR 4184Cb 0.54 -1.87 0.19 0.00 -2.10 0.00 0.00 70.33 67.09 2nxh n THR 4184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2nxh h HIS 4185N -0.50 0.00 0.00 4.78 3.86 -1.91 -3.20 115.15 118.19 2nxh h HIS 4185Ca -0.42 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.79 2nxh h HIS 4185Cb 1.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.13 2nxh h HIS 4185CO 0.07 0.41 -0.04 0.77 0.86 0.00 0.00 177.93 180.00 2nxh h SER 4186N 0.00 0.00 -0.19 2.45 0.02 -1.64 -2.41 113.55 111.78 2nxh h SER 4186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nxh h SER 4186Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2nxh h SER 4186CO 0.05 0.04 0.00 1.33 -1.14 0.00 0.00 176.83 177.12 2nxh n VAL 4187N -3.92 0.27 -2.11 2.27 0.24 -1.21 -4.71 118.33 109.16 2nxh n VAL 4187Ca -0.03 -0.63 -0.32 0.00 -2.04 0.00 0.00 64.34 61.32 2nxh n VAL 4187Cb 0.13 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 2nxh n VAL 4187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nxh s GLN 4188N -1.52 3.48 -0.41 7.34 -2.07 -0.91 -2.21 119.66 123.36 2nxh s GLN 4188Ca 0.29 1.10 -0.03 0.00 -1.82 0.00 0.00 55.36 54.90 2nxh s GLN 4188Cb 0.19 -2.06 0.11 0.00 -1.09 0.00 0.00 33.01 30.15 2nxh s GLN 4188CO 0.27 -0.67 0.21 -0.51 -1.32 0.00 0.00 175.29 173.27 2nxh s LEU 4189N -4.47 5.22 -0.18 2.60 1.43 0.08 -4.32 118.68 119.05 2nxh s LEU 4189Ca 0.62 -1.98 -0.40 0.00 -1.03 0.00 0.00 54.13 51.33 2nxh s LEU 4189Cb -0.14 -1.84 -0.17 0.00 0.03 0.00 0.00 46.19 44.07 2nxh s LEU 4189CO 0.37 -0.54 1.55 -2.65 0.23 0.00 0.00 176.35 175.31 2nxh n PRO 4190N 4.62 0.90 -1.32 1.29 -0.02 -1.26 -0.67 135.00 138.54 2nxh n PRO 4190Ca -0.03 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 2nxh n PRO 4190Cb 0.41 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 2nxh n PRO 4190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxh n GLY 4191N 3.47 1.19 0.07 -1.23 0.00 -1.25 -4.29 105.19 103.15 2nxh n GLY 4191Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 2nxh n GLY 4191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 4192N -0.12 -0.78 1.69 -0.02 0.00 0.16 -2.48 105.19 103.64 2nxh n GLY 4192Ca -0.13 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2nxh n GLY 4192CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nxh n LEU 4193N -1.83 4.42 0.00 0.99 7.99 0.13 -4.71 117.00 123.99 2nxh n LEU 4193Ca 0.00 -4.55 0.00 0.00 -0.01 0.00 0.00 56.01 51.45 2nxh n LEU 4193Cb 0.06 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 42.99 2nxh n LEU 4193CO 0.07 1.95 0.00 0.61 -1.51 0.00 0.00 177.39 178.51 2nxh n GLY 4194N -0.81 1.47 1.39 -0.72 0.00 -1.04 -2.84 105.19 102.65 2nxh n GLY 4194Ca 0.38 0.35 0.10 0.00 0.00 0.00 0.00 46.02 46.85 2nxh n GLY 4194CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nxh n ASP 4195N 3.53 4.30 -3.87 1.61 5.75 -1.26 -4.92 116.55 121.69 2nxh n ASP 4195Ca 0.00 -2.28 -0.09 0.00 -0.01 0.00 0.00 54.79 52.40 2nxh n ASP 4195Cb 0.00 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.51 2nxh n ASP 4195CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2nxh s LYS 4196N -1.53 1.07 -0.32 0.11 1.02 -1.13 -3.76 119.74 115.20 2nxh s LYS 4196Ca 0.47 -1.02 -0.09 0.00 0.02 0.00 0.00 55.97 55.35 2nxh s LYS 4196Cb 0.29 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.99 2nxh s LYS 4196CO 0.26 -0.39 0.15 -1.12 -0.92 0.00 0.00 175.35 173.33 2nxh s SER 4197N -2.91 5.51 0.00 2.83 0.01 -1.26 0.17 113.70 118.05 2nxh s SER 4197Ca 0.11 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2nxh s SER 4197Cb 0.03 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2nxh s SER 4197CO -0.05 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2nxh n GLY 4198N 4.96 -0.90 0.00 3.44 0.00 -0.85 -4.74 105.19 107.10 2nxh n GLY 4198Ca -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2nxh n GLY 4198CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 4199N 4.11 0.79 2.83 -0.02 0.00 -1.26 -0.74 105.19 110.89 2nxh n GLY 4199Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2nxh n GLY 4199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nxh s MET 4200N -2.00 1.67 0.41 1.61 -1.94 -0.94 -4.86 119.30 113.25 2nxh s MET 4200Ca 0.00 -2.37 0.13 0.00 -1.71 0.00 0.00 55.69 51.74 2nxh s MET 4200Cb 0.00 -2.85 0.98 0.00 2.01 0.00 0.00 34.83 34.97 2nxh s MET 4200CO 0.00 -1.15 1.94 -0.09 -0.01 0.00 0.00 175.02 175.72 2nxh h ARG 4201N 6.53 0.47 0.00 2.03 2.43 -1.88 -2.19 114.38 121.77 2nxh h ARG 4201Ca -0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2nxh h ARG 4201Cb 0.90 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2nxh h ARG 4201CO 0.59 0.31 0.34 1.05 -1.51 0.00 0.00 179.97 180.75 2nxh h GLU 4202N 0.48 0.00 -0.01 0.20 4.11 -1.93 -0.39 114.58 117.04 2nxh h GLU 4202Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 2nxh h GLU 4202Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2nxh h GLU 4202CO -0.11 0.00 -0.36 1.19 0.07 0.00 0.00 179.01 179.80 2nxh n PHE 4203N -2.57 0.00 0.22 2.06 3.72 -0.82 -4.64 117.46 115.43 2nxh n PHE 4203Ca -0.02 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.23 2nxh n PHE 4203Cb 0.38 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.84 2nxh n PHE 4203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2nxh h ILE 4204N 2.20 0.59 0.25 4.37 2.04 -1.20 -2.79 117.51 122.97 2nxh h ILE 4204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2nxh h ILE 4204Cb 0.65 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2nxh h ILE 4204CO 0.00 0.00 -0.12 0.15 0.00 0.00 0.00 178.15 178.18 2nxh h PHE 4205N -0.53 -0.32 -0.66 1.37 -0.00 -1.82 -2.24 116.94 112.74 2nxh h PHE 4205Ca -0.05 -0.01 0.14 0.00 -0.00 0.00 0.00 57.97 58.05 2nxh h PHE 4205Cb 0.42 0.10 -0.12 0.00 -0.00 0.00 0.00 35.95 36.35 2nxh h PHE 4205CO -0.07 -0.09 -0.09 -1.35 -0.00 0.00 0.00 178.31 176.71 2nxh h PRO 4206N -0.49 0.04 0.00 6.41 0.11 -1.83 0.16 132.00 136.41 2nxh h PRO 4206Ca -0.03 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 2nxh h PRO 4206Cb 0.36 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 2nxh h PRO 4206CO 0.06 0.03 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.56 2nxh h LEU 4207N 0.05 0.00 -0.25 2.35 3.38 -1.46 -2.21 115.31 117.16 2nxh h LEU 4207Ca 0.33 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 2nxh h LEU 4207Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2nxh h LEU 4207CO -0.63 0.24 -0.08 0.40 0.09 0.00 0.00 178.44 178.46 2nxh h ILE 4208N 0.00 1.29 -0.64 1.22 2.04 -0.12 -0.10 117.51 121.21 2nxh h ILE 4208Ca -0.00 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.76 2nxh h ILE 4208Cb 0.70 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 2nxh h ILE 4208CO 0.03 0.35 0.42 0.03 0.00 0.00 0.00 178.15 178.98 2nxh h ARG 4209N 0.23 0.80 -0.28 2.37 3.08 -0.84 -1.61 114.38 118.14 2nxh h ARG 4209Ca 0.06 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2nxh h ARG 4209Cb 0.56 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2nxh h ARG 4209CO 0.03 0.53 -0.04 0.00 -1.07 0.00 0.00 179.97 179.42 2nxh h ALA 4210N 1.61 0.38 -0.60 0.04 0.00 -1.06 -1.75 119.26 117.88 2nxh h ALA 4210Ca 0.24 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2nxh h ALA 4210Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2nxh h ALA 4210CO -0.06 0.17 0.36 0.00 0.00 0.00 0.00 179.25 179.72 2nxh h ALA 4211N 0.80 0.78 -0.25 0.00 0.00 -0.28 -1.03 119.26 119.29 2nxh h ALA 4211Ca 0.07 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2nxh h ALA 4211Cb 0.50 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2nxh h ALA 4211CO 0.02 0.08 -0.52 -0.39 0.00 0.00 0.00 179.25 178.45 2nxh h VAL 4212N 0.70 1.30 -0.75 0.00 -1.51 -1.28 0.40 116.25 115.11 2nxh h VAL 4212Ca 0.25 -1.73 -0.05 0.00 -1.23 0.00 0.00 66.70 63.94 2nxh h VAL 4212Cb 0.05 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 30.84 2nxh h VAL 4212CO -0.11 0.55 0.27 0.00 -1.23 0.00 0.00 177.57 177.05 2nxh h ALA 4213N 0.87 1.06 -0.08 5.19 0.00 -0.99 -2.77 119.26 122.53 2nxh h ALA 4213Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2nxh h ALA 4213Cb 1.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2nxh h ALA 4213CO 0.11 0.65 -0.08 0.28 0.00 0.00 0.00 179.25 180.21 2nxh h VAL 4214N 1.10 1.36 0.00 0.00 2.07 -1.09 -3.47 116.25 116.22 2nxh h VAL 4214Ca 0.25 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2nxh h VAL 4214Cb 0.25 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2nxh h VAL 4214CO -0.02 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.52 2nxh n GLY 4215N 0.19 2.59 3.14 2.17 0.00 0.12 -4.83 105.19 108.56 2nxh n GLY 4215Ca -0.07 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 2nxh n GLY 4215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxh n ASP 4217N 0.03 0.30 0.00 0.00 8.00 0.55 -4.96 116.55 120.47 2nxh n ASP 4217Ca -0.13 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.34 2nxh n ASP 4217Cb 0.62 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 2nxh n ASP 4217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nxh n GLY 4218N 1.45 0.45 3.40 0.44 0.00 -1.04 -1.63 105.19 108.26 2nxh n GLY 4218Ca 0.08 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 2nxh n GLY 4218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nxh s VAL 4219N -2.00 2.40 -0.15 1.61 1.01 -0.02 -1.22 120.40 122.03 2nxh s VAL 4219Ca 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.56 2nxh s VAL 4219Cb 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.39 2nxh s VAL 4219CO 0.00 0.27 -0.19 0.12 0.00 0.00 0.00 175.10 175.30 2nxh s PHE 4220N -0.93 2.51 -0.15 5.22 2.19 0.73 -1.12 117.98 126.43 2nxh s PHE 4220Ca 0.14 -1.35 -0.07 0.00 0.33 0.00 0.00 56.93 55.98 2nxh s PHE 4220Cb -0.10 -1.75 0.06 0.00 -1.31 0.00 0.00 43.02 39.92 2nxh s PHE 4220CO 0.05 -0.66 0.35 0.00 1.83 0.00 0.00 175.22 176.78 2nxh s MET 4221N 1.09 0.29 0.03 10.12 0.23 0.26 -0.24 119.30 131.07 2nxh s MET 4221Ca -0.02 0.77 -0.23 0.00 -1.03 0.00 0.00 55.69 55.19 2nxh s MET 4221Cb -0.14 0.02 -0.06 0.00 -1.53 0.00 0.00 34.83 33.12 2nxh s MET 4221CO -0.07 -0.20 0.69 -1.21 -2.03 0.00 0.00 175.02 172.20 2nxh s GLU 4222N 1.79 4.41 0.25 3.16 2.02 -1.26 -3.68 118.70 125.39 2nxh s GLU 4222Ca -0.06 0.92 0.06 0.00 0.02 0.00 0.00 54.97 55.91 2nxh s GLU 4222Cb -0.10 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 2nxh s GLU 4222CO -0.11 0.34 -0.07 -0.08 0.02 0.00 0.00 175.26 175.36 2nxh s THR 4223N -0.18 1.51 -0.27 3.63 -1.32 -0.61 -1.50 115.64 116.91 2nxh s THR 4223Ca 0.35 -2.12 -0.26 0.00 -1.21 0.00 0.00 61.69 58.45 2nxh s THR 4223Cb -0.20 -2.31 0.11 0.00 -1.51 0.00 0.00 72.50 68.60 2nxh s THR 4223CO 0.20 -0.39 0.96 -2.28 -2.21 0.00 0.00 174.62 170.90 2nxh s HIS 4224N -3.10 -0.53 0.19 9.09 5.04 -0.04 -2.98 115.29 122.94 2nxh s HIS 4224Ca 0.27 1.27 -0.16 0.00 -1.54 0.00 0.00 55.06 54.91 2nxh s HIS 4224Cb 0.03 0.35 0.16 0.00 0.04 0.00 0.00 32.58 33.17 2nxh s HIS 4224CO 0.09 -0.28 1.64 -1.35 -2.34 0.00 0.00 174.74 172.51 2nxh h PRO 4225N 4.22 -0.02 -2.70 2.88 0.11 -1.94 -3.21 132.00 131.33 2nxh h PRO 4225Ca -0.28 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.23 2nxh h PRO 4225Cb 1.17 0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.89 2nxh h PRO 4225CO 0.12 -0.02 -0.80 -1.21 -0.21 0.00 0.00 178.00 175.88 2nxh s GLU 4226N -6.21 1.45 0.40 1.05 2.02 -1.26 -4.59 118.70 111.57 2nxh s GLU 4226Ca -0.14 -2.46 0.24 0.00 0.02 0.00 0.00 54.97 52.62 2nxh s GLU 4226Cb 0.17 -2.20 1.30 0.00 0.10 0.00 0.00 34.13 33.49 2nxh s GLU 4226CO 0.72 -1.31 1.64 -1.35 0.02 0.00 0.00 175.26 174.98 2nxh h PRO 4227N 5.78 0.16 -0.17 0.39 0.11 -1.85 0.71 132.00 137.13 2nxh h PRO 4227Ca 0.18 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.33 2nxh h PRO 4227Cb 0.86 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2nxh h PRO 4227CO 0.50 0.11 0.16 1.05 -0.21 0.00 0.00 178.00 179.60 2nxh h GLU 4228N 0.16 0.00 -0.58 1.05 4.11 -1.92 0.28 114.58 117.67 2nxh h GLU 4228Ca 0.78 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.21 2nxh h GLU 4228Cb 2.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.44 2nxh h GLU 4228CO -0.51 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.20 2nxh n LYS 4229N -4.00 2.90 -2.17 1.06 5.02 0.25 -4.99 118.16 116.22 2nxh n LYS 4229Ca 0.01 -2.49 -0.39 0.00 -2.02 0.00 0.00 58.31 53.42 2nxh n LYS 4229Cb 0.29 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.77 2nxh n LYS 4229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nxh s ALA 4230N -1.14 3.26 -2.35 7.82 0.00 0.09 -4.91 121.76 124.53 2nxh s ALA 4230Ca 0.40 1.12 0.27 0.00 0.00 0.00 0.00 51.96 53.75 2nxh s ALA 4230Cb 0.22 -3.44 1.13 0.00 0.00 0.00 0.00 23.12 21.03 2nxh s ALA 4230CO 0.26 -0.66 1.78 1.28 0.00 0.00 0.00 175.76 178.42 2nxh n LEU 4231N 0.27 1.22 -3.65 0.00 4.77 -1.26 -4.52 117.00 113.82 2nxh n LEU 4231Ca 0.03 -0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 55.53 2nxh n LEU 4231Cb 0.44 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2nxh n LEU 4231CO 0.54 0.22 0.23 -0.55 -1.33 0.00 0.00 177.39 176.50 2nxh s SER 4232N -1.89 -0.93 -1.20 -1.43 0.15 -1.26 -4.47 113.70 102.67 2nxh s SER 4232Ca 0.38 1.44 -0.02 0.00 0.70 0.00 0.00 55.95 58.44 2nxh s SER 4232Cb 0.20 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 66.36 2nxh s SER 4232CO 0.32 -0.22 1.01 0.47 1.20 0.00 0.00 173.24 176.02 2nxh n ASP 4233N 5.10 -3.13 -0.22 5.45 8.00 -1.26 -4.80 116.55 125.69 2nxh n ASP 4233Ca -0.14 -0.58 -0.02 0.00 0.71 0.00 0.00 54.79 54.76 2nxh n ASP 4233Cb 0.52 -4.95 0.09 0.00 -0.02 0.00 0.00 41.12 36.76 2nxh n ASP 4233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nxh h ALA 4234N 0.90 0.86 0.00 2.24 0.00 -1.79 -1.98 119.26 119.48 2nxh h ALA 4234Ca -0.56 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2nxh h ALA 4234Cb 1.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2nxh h ALA 4234CO 0.50 0.05 0.00 -0.35 0.00 0.00 0.00 179.25 179.45 2nxh n PRO 4235N -4.78 0.24 -0.00 0.00 -0.04 -1.26 -3.09 135.00 126.06 2nxh n PRO 4235Ca 0.08 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.68 2nxh n PRO 4235Cb 0.15 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 2nxh n PRO 4235CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nxh n THR 4236N -1.26 0.00 -1.85 0.52 -2.24 -0.90 -3.79 114.28 104.76 2nxh n THR 4236Ca 0.08 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2nxh n THR 4236Cb 0.12 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 2nxh n THR 4236CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nxh s ALA 4237N -1.83 3.81 -0.05 6.98 0.00 -0.79 -4.87 121.76 125.00 2nxh s ALA 4237Ca -0.00 1.47 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 2nxh s ALA 4237Cb 0.02 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 2nxh s ALA 4237CO 0.15 -0.86 0.37 -1.17 0.00 0.00 0.00 175.76 174.25 2nxh s LEU 4238N 0.65 4.41 0.67 0.00 2.96 -0.56 -4.73 118.68 122.08 2nxh s LEU 4238Ca 0.69 0.83 -0.17 0.00 -0.22 0.00 0.00 54.13 55.25 2nxh s LEU 4238Cb -0.46 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 43.72 2nxh s LEU 4238CO 0.36 0.26 1.28 -2.84 -1.32 0.00 0.00 176.35 174.10 2nxh s PRO 4239N -0.64 2.43 0.19 0.98 0.02 -1.26 -0.86 135.00 135.86 2nxh s PRO 4239Ca 0.22 2.02 -0.06 0.00 0.02 0.00 0.00 61.00 63.20 2nxh s PRO 4239Cb -0.15 -1.84 0.11 0.00 0.02 0.00 0.00 34.50 32.63 2nxh s PRO 4239CO 0.11 -1.68 1.57 -0.07 -0.33 0.00 0.00 177.00 176.60 2nxh h LEU 4240N 0.36 0.83 -2.41 -5.54 3.38 -1.80 -3.08 115.31 107.05 2nxh h LEU 4240Ca -0.50 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.12 2nxh h LEU 4240Cb 1.33 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2nxh h LEU 4240CO 0.52 1.08 -0.03 0.77 0.09 0.00 0.00 178.44 180.88 2nxh h SER 4241N 0.67 0.00 0.60 -0.43 4.64 -1.91 -2.01 113.55 115.12 2nxh h SER 4241Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2nxh h SER 4241Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2nxh h SER 4241CO 0.07 0.03 -1.05 0.00 -0.87 0.00 0.00 176.83 175.01 2nxh n GLN 4242N -3.31 0.41 -0.20 4.77 6.02 -1.17 -4.41 117.38 119.48 2nxh n GLN 4242Ca -0.02 0.02 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2nxh n GLN 4242Cb 0.15 -1.66 0.11 0.00 1.02 0.00 0.00 30.24 29.86 2nxh n GLN 4242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2nxh h LEU 4243N 0.00 0.12 -0.01 1.08 5.85 -1.33 -2.57 115.31 118.45 2nxh h LEU 4243Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2nxh h LEU 4243Cb 0.83 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 2nxh h LEU 4243CO 0.00 0.07 0.00 -0.08 -0.34 0.00 0.00 178.44 178.09 2nxh h GLU 4244N 0.33 0.01 -0.42 1.25 4.81 -1.77 -2.23 114.58 116.57 2nxh h GLU 4244Ca 0.32 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.61 2nxh h GLU 4244Cb 0.44 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 2nxh h GLU 4244CO -0.36 0.15 0.08 0.78 -0.73 0.00 0.00 179.01 178.92 2nxh h GLY 4245N -0.12 0.49 1.13 1.92 0.00 -1.77 -1.74 103.07 102.97 2nxh h GLY 4245Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2nxh h GLY 4245CO -0.00 -0.05 0.52 -2.22 0.00 0.00 0.00 176.54 174.79 2nxh h ILE 4246N 0.20 1.24 -0.71 2.60 2.04 -1.40 -1.85 117.51 119.63 2nxh h ILE 4246Ca 0.21 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2nxh h ILE 4246Cb 0.26 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2nxh h ILE 4246CO -0.28 0.25 0.24 0.40 0.00 0.00 0.00 178.15 178.76 2nxh h ILE 4247N 1.18 1.25 -0.18 -0.67 2.04 -0.72 -1.65 117.51 118.75 2nxh h ILE 4247Ca 0.31 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 2nxh h ILE 4247Cb -0.05 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2nxh h ILE 4247CO -0.06 0.33 -0.29 -0.08 0.00 0.00 0.00 178.15 178.05 2nxh h GLU 4248N 1.04 0.35 -0.12 2.37 4.57 -0.78 -2.64 114.58 119.36 2nxh h GLU 4248Ca 0.23 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2nxh h GLU 4248Cb 0.25 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2nxh h GLU 4248CO -0.01 0.61 -0.03 0.00 -1.18 0.00 0.00 179.01 178.40 2nxh h ALA 4249N 1.39 0.16 -0.10 2.92 0.00 -0.63 -2.39 119.26 120.62 2nxh h ALA 4249Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2nxh h ALA 4249Cb 0.67 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2nxh h ALA 4249CO 0.05 -0.10 -0.22 -0.84 0.00 0.00 0.00 179.25 178.14 2nxh h ILE 4250N -0.09 1.20 -0.30 0.00 3.07 -1.25 -1.11 117.51 119.03 2nxh h ILE 4250Ca 0.03 -0.94 -0.14 0.00 1.55 0.00 0.00 64.86 65.36 2nxh h ILE 4250Cb 0.44 1.37 -0.00 0.00 -0.27 0.00 0.00 36.82 38.36 2nxh h ILE 4250CO 0.01 0.28 -0.37 -0.07 -1.05 0.00 0.00 178.15 176.96 2nxh h LEU 4251N 0.15 0.84 0.09 0.16 3.38 -1.42 0.41 115.31 118.92 2nxh h LEU 4251Ca 0.03 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2nxh h LEU 4251Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2nxh h LEU 4251CO 0.03 1.16 -0.05 -0.33 0.09 0.00 0.00 178.44 179.35 2nxh h GLU 4252N 0.54 -0.12 -0.87 1.13 5.08 -1.12 -1.25 114.58 117.97 2nxh h GLU 4252Ca 0.04 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2nxh h GLU 4252Cb 0.95 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2nxh h GLU 4252CO 0.09 0.13 0.53 0.82 -1.00 0.00 0.00 179.01 179.58 2nxh h ILE 4253N -0.36 1.24 -0.15 3.13 2.04 -1.24 -1.86 117.51 120.30 2nxh h ILE 4253Ca -0.01 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2nxh h ILE 4253Cb 0.30 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2nxh h ILE 4253CO 0.02 0.25 -0.03 -0.09 0.00 0.00 0.00 178.15 178.30 2nxh h ARG 4254N 1.20 0.22 -0.17 2.37 2.43 -0.76 -1.03 114.38 118.64 2nxh h ARG 4254Ca 0.31 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.40 2nxh h ARG 4254Cb -0.06 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2nxh h ARG 4254CO -0.06 0.27 -0.08 1.49 -1.51 0.00 0.00 179.97 180.07 2nxh h GLU 4255N 0.22 0.35 -0.26 0.20 4.81 -0.39 -1.62 114.58 117.89 2nxh h GLU 4255Ca 0.05 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2nxh h GLU 4255Cb 0.19 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2nxh h GLU 4255CO 0.01 0.67 -0.23 0.28 -0.73 0.00 0.00 179.01 179.00 2nxh h VAL 4256N 0.03 1.31 -0.02 0.32 2.07 -1.24 -3.34 116.25 115.38 2nxh h VAL 4256Ca 0.04 -1.38 -0.20 0.00 0.82 0.00 0.00 66.70 65.97 2nxh h VAL 4256Cb 0.56 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2nxh h VAL 4256CO 0.02 0.43 -0.85 0.00 0.02 0.00 0.00 177.57 177.20 2nxh h ALA 4257N 0.69 0.50 -1.13 1.67 0.00 -1.25 -3.29 119.26 116.46 2nxh h ALA 4257Ca 0.04 -0.68 0.33 0.00 0.00 0.00 0.00 54.91 54.60 2nxh h ALA 4257Cb 0.78 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 2nxh h ALA 4257CO 0.06 0.83 0.72 0.66 0.00 0.00 0.00 179.25 181.51 2nxh h SER 4258N 0.20 0.39 -0.37 0.00 4.64 -1.41 1.13 113.55 118.13 2nxh h SER 4258Ca -0.05 0.11 0.11 0.00 -0.47 0.00 0.00 61.79 61.49 2nxh h SER 4258Cb 1.45 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 2nxh h SER 4258CO 0.14 -0.02 0.32 0.50 -0.87 0.00 0.00 176.83 176.90 2nxh h LYS 4259N 0.29 0.00 -0.00 4.77 3.64 -1.74 -2.27 116.57 121.25 2nxh h LYS 4259Ca 0.68 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 2nxh h LYS 4259Cb 1.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 2nxh h LYS 4259CO -0.37 0.00 -0.77 0.66 -2.27 0.00 0.00 179.45 176.70 2nxh n TYR 4260N -4.09 0.00 -1.64 1.91 4.02 0.39 -4.99 117.16 112.76 2nxh n TYR 4260Ca 0.06 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.51 2nxh n TYR 4260Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.80 2nxh n TYR 4260CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2nxh n TYR 4261N -1.16 1.77 -1.64 -0.72 4.01 -0.86 -4.94 117.16 113.63 2nxh n TYR 4261Ca 0.04 0.60 -0.31 0.00 -0.16 0.00 0.00 57.90 58.08 2nxh n TYR 4261Cb 0.31 -2.35 0.05 0.00 -0.31 0.00 0.00 39.34 37.04 2nxh n TYR 4261CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2nxh s GLU 4262N -1.37 2.91 -0.24 -0.72 8.01 -1.26 -4.98 118.70 121.05 2nxh s GLU 4262Ca 0.60 0.84 -0.29 0.00 0.01 0.00 0.00 54.97 56.13 2nxh s GLU 4262Cb -0.66 -2.00 -0.01 0.00 -4.31 0.00 0.00 34.13 27.16 2nxh s GLU 4262CO 0.58 -1.09 1.28 0.99 0.01 0.00 0.00 175.26 177.04 2nxh s THR 4263N -3.10 4.21 0.00 3.63 2.01 -1.26 -5.18 115.64 115.94 2nxh s THR 4263Ca 0.58 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.99 2nxh s THR 4263Cb -0.13 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.29 2nxh s THR 4263CO 0.55 -0.32 0.00 0.00 -0.69 0.00 0.00 174.62 174.15